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TargetAcetylcholinesterase
LigandBDBM10440
Substrate/CompetitorBDBM8959
Meas. Tech.Enzyme Inhibition Assay
pH7±n/a
Temperature295.15±n/a K
Ki 4.5±0.4 nM
IC50 16.0±0.6 nM
Citation Wong DMGreenblatt HMDvir HCarlier PRHan YFPang YPSilman ISussman JL Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity. J Am Chem Soc 125:363-73 (2003) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:n/a
Mol. Mass.:65900.74
Organism:Tetronarce californica (Pacific electric ray) (Torpedo californica)
Description:P04058
Residue:586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
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  Blast E-value cutoff:
BDBM10440
BDBM8959
NameBDBM10440
Synonyms:(5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquinolin-5-yl]amino}dodecyl)amino]-1,2,5,6,7,8-hexahydroquinolin-2-one | (S,S)-(-)-bis(12)-hupyridone
TypeSmall organic molecule
Emp. Form.C30H46N4O2
Mol. Mass.494.7118
SMILESO=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r|
Structure
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